(3-nonyl-1,2-oxazol-5-yl)methanol

C13H23NO2 — CID 10878840

IUPAC(3-nonyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCCCCCc1cc(CO)on1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(11-15)16-14-12/h10,15H,2-9,11H2,1H3
InChIKeyCACJXKZAMLXKQD-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.46
Rot. Bonds9

About (3-nonyl-1,2-oxazol-5-yl)methanol

(3-nonyl-1,2-oxazol-5-yl)methanol (PubChem CID 10878840) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3-nonyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-nonyl-1,2-oxazol-5-yl)methanol
PubChem CID10878840
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3-nonyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCCCCCc1cc(CO)on1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(11-15)16-14-12/h10,15H,2-9,11H2,1H3
InChIKeyCACJXKZAMLXKQD-UHFFFAOYSA-N
XLogP3.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-nonyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-nonyl-1,2-oxazol-5-yl)methanol (CID 10878840) is (3-nonyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-nonyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-nonyl-1,2-oxazol-5-yl)methanol is CCCCCCCCCc1cc(CO)on1.
What is the InChIKey of (3-nonyl-1,2-oxazol-5-yl)methanol?
The InChIKey is CACJXKZAMLXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(11-15)16-14-12/h10,15H,2-9,11H2,1H3.
What are the key properties of (3-nonyl-1,2-oxazol-5-yl)methanol?
(3-nonyl-1,2-oxazol-5-yl)methanol has a molecular weight of 225.33 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nonyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 10878840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).